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Search Publications by: Eric L. Shirley (Fed)

Displaying 76 - 100 of 192

First-Principles Ultraviolet and X-Ray Spectra Over Broad Ranges

August 1, 2004

Author(s)

Eric L. Shirley, J A. Soininen, J J. Rehr

Multiphonon Processes and Infrared Dielectric Response

July 30, 2004

Author(s)

H M. Lawler, Eric L. Shirley

Li 1s Near-Edge Spectra in Six Lithium Halides

July 1, 2004

Author(s)

Eric L. Shirley

Theoretical results are presented for Li 1s near-edge absorption spectra in LiH, LiF, LiCl, LiBr, LiI and LiAt. These results are obtained using a realistic band structure and wave functions, and include effects of the electron-core hole attraction in

Diffraction Effects on Broadband Radiation: Formulation for Computing Total Irradiance

May 1, 2004

Author(s)

Eric L. Shirley

We present a formulation for treating diffraction effects on total irradiance in the case of a Planck source, whereas earlier work generally depended on calculating diffraction effects on spectral irradiance followed by summation over spectral components

Ionic Displacement Correlations From the Zero-Point Motion of Pressurized Solid Argon

May 1, 2004

Author(s)

H M. Lawler, E K. Chang, Eric L. Shirley

We have performed first principles calculations of the elastic constants and phonon dispersion for solid argon at pressure ranging from 3.1 GPa to 70 Gpa. We also report our calculations of the spatial correlation function for the ground and its pressure

Ti ls Pre-Edge Features in Rutile: A Bethe-Salpeter Calculation

May 1, 2004

Author(s)

Eric L. Shirley

This work studies Ti K-edge excitation in rutile TiO2 by considering the x-ray absorption spectrum in a Bethe-Salpeter approach. This work compares resultes obtained by experiment and previous theoretical results obtain within the Anderson impurity model

Intuitive Diffraction Model for Multistaged Optical Systems

February 1, 2004

Author(s)

Eric L. Shirley

A simplified framework is motivated, in which many diffraction effects can be treated, especially in multi-staged optical systems. These include effects of limiting apertures, although this work may be especially suitable when considering diffraction

Anharmonic effects on infrared spectra of GaAs and GaP: First-principles calculations

January 1, 2004

Author(s)

H M. Lawler, Eric L. Shirley

Diffraction Corrections In Radiometry: Spectral and Total Power, and Asymptotic Properties

January 1, 2004

Author(s)

Eric L. Shirley

Diffraction Effects on Broadband Radiation: Formulation For Computing Total Irradiance

January 1, 2004

Author(s)

Eric L. Shirley

Effect of Coupling of Forward- and Backward-Going Electron-Hole Pairs on the Static Local-Field Factor of Jellium

January 1, 2004

Author(s)

A Tsolakidis, Eric L. Shirley, R M. Martin

Effect of the Coupling of the Forward- and Backward-Going Electron-Hole Pairs on the Static Local Field-Factor of Jellium

January 1, 2004

Author(s)

A Tsolakidis, Eric L. Shirley, R M. Martin

We investigate the effect of the coupling of the forward- and backward-going electron-hole pairs on the static local-field factor of jellium with and without a gap. We calculate the static local-field factor for the two types of jellium as a function of q

Intuitive Diffraction Model for Multistaged Optical Systems

January 1, 2004

Author(s)

Eric L. Shirley

Ionic Displacement Correlations From The Zero-Point Motion of Pressurized Solid Argon

January 1, 2004

Author(s)

H M. Lawler, E K. Chang, Eric L. Shirley

Li 1s Near-Edge Spectra In Six Lithium Halides

January 1, 2004

Author(s)

Eric L. Shirley

Ti ls Pre-Edge Features In Rutile: A Bethe-Salpeter Calculation

January 1, 2004

Author(s)

Eric L. Shirley

Photoelastic and Elastic Properties of the Fluorite Structure Materials, LiF, and Si

October 1, 2003

Author(s)

Zachary H. Levine, John H. Burnett, Eric L. Shirley

We present computational results of the photoelastic and elastic properties of calcium fluoride, strontium fluoride, barium fluoride, lithium fluoride, and silicon. We also present measurements of the photoelastic properties in the visble through the

Electron Self-Energy Calculation Using a General Multi-Pole Approximation

May 1, 2003

Author(s)

J A. Soininen, J J. Rehr, Eric L. Shirley

We present a method for calculating the inverse of the dielectric matrix in a solid using a Band-Lanczos algorithm. The method produces a multi-pole approximation for the inverse dielectrix matrix with an arbitrary number of poles. We discuss how this

Accurate Efficient Evaluation of Lommel Functions for Arbitrarily Large Arguments

February 1, 2003

Author(s)

Eric L. Shirley, E K. Chang

It can be difficult to evaluate Lommel functions U_n(u,v) and V_n(u,v) when u and v are both large. Here, we present an accurate means to evaluate such functions using contour integration. The approach suggests the potential for developing analogous